Chem
J-GLOBAL ID：200907048583909772   Nikkaji number：J1.647.981K

1-O-(1-O-Stearoyl-2-O-butyryl-L-glycero-3-phospho)-D-myo-inositol 3,5-bisphosphoric acid pentasodium salt

1-O-(1-O-ステアロイル-2-O-ブチリル-L-グリセロ-3-ホスホ)-D-myo-イノシトール3,5-ビスりん酸ペンタナトリウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C31H56Na5O19P3
Molecular formula furigana： C31-H56-NA5-O19-P3
Molecular weight： 940.640
InChI： InChI=1S/C31H61O19P3.5Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(32)45-21-23(47-25(33)19-4-2)22-46-53(43,44)50-31-27(35)29(48-51(37,38)39)26(34)30(28(31)36)49-52(40,41)42;;;;;/h23,26-31,34-36H,3-22H2,1-2H3,(H,43,44)(H2,37,38,39)(H2,40,41,42);;;;;/q;5*+1/p-5/t23-,26-,27-,28-,29-,30+,31?;;;;;/m1...../s1
InChI key： LQKDRZAJVOKRHK-JKBZUEISSA-I
SMILES： CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[Na])OC1[C@H](O)[C@@H](OP(=O)(O[Na])O[Na])[C@H](O)[C@@H](OP(=O)(O[Na])O[Na])[C@H]1O)OC(=O)CCC
Systematic name  (3)：
  • 1-O-(1-O-ステアロイル-2-O-ブチリル-L-グリセロ-3-ホスホ)-D-myo-イノシトール3,5-ビスりん酸ペンタナトリウム
  • (2R)-2-(ブタノイルオキシ)-3-[({[(2S,3R,4S,5S,6S)-3,5-ジ{[ビス(ソジオオキシ)ホスホリル]オキシ}-2,4,6-トリヒドロキシシクロヘキシル]オキシ}(ソジオオキシ)ホスホリル)オキシ]プロピル オクタデカノアート
  • (2R)-2-(butanoyloxy)-3-[({[(2S,3R,4S,5S,6S)-3,5-di{[bis(sodiooxy)phosphoryl]oxy}-2,4,6-trihydroxycyclohexyl]oxy}(sodiooxy)phosphoryl)oxy]propyl octadecanoate
Other name (1)：
  • 1-O-(1-O-Stearoyl-2-O-butyryl-L-glycero-3-phospho)-D-myo-inositol 3,5-bisphosphoric acid pentasodium salt
Thsaurus map：
Thesaurus Map

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